[3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclopentyl] 2-bromanylethanoate

Systemtic Name: [3-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]cyclopentyl] 2-bromanylethanoate Openeye Name: [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] ester IUPAC Name: [3-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [3-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)cyclopentyl] ester Formula: C18H25BrN4O4 MolecularWeight: 441.3195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(C3)OC(=O)CBr

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(C3)OC(=O)CBr

InChI

InChI=1S/C18H25BrN4O4/c1-3-7-22-16-14(17(25)23(8-4-2)18(22)26)20-15(21-16)11-5-6-12(9-11)27-13(24)10-19/h11-12H,3-10H2,1-2H3,(H,20,21)